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dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, heptadecyl ester
SpectraBase Compound ID 45x2PXG25Ue
InChI InChI=1S/C30H59NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-34-29(32)27(4)31(5)30(33)35-26-28(8-3)24-10-7-2/h27-28H,6-26H2,1-5H3
InChIKey UFZSAZSEOIWYRI-UHFFFAOYSA-N
Mol Weight 497.8 g/mol
Molecular Formula C30H59NO4
Exact Mass 497.444409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESzj9VeaxGB
Name dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 497.444409380 u
Formula C30H59NO4
InChI InChI=1S/C30H59NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-34-29(32)27(4)31(5)30(33)35-26-28(8-3)24-10-7-2/h27-28H,6-26H2,1-5H3
InChIKey UFZSAZSEOIWYRI-UHFFFAOYSA-N
Molecular Weight 497.805 g/mol
SMILES CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCCCCCCC